pka_value	data_source	charge_state_pre	charge_state_post	microspecies_pre	microspecies_post	molid	smiles
9.65	AttenGpKa training set	0	-1	CC(=O)CC(=O)Nc1ccc([N+](=O)[O-])cc1	CC(=O)[CH-]C(=O)Nc1ccc([N+](=O)[O-])cc1,[CH2-]C(=O)CC(=O)Nc1ccc([N+](=O)[O-])cc1,CC(=O)CC(=O)[N-]c1ccc([N+](=O)[O-])cc1	mol23946	CC(=O)CC(=O)Nc1ccc([N+](=O)[O-])cc1